2VCQ

complex structure of prostaglandin d2 synthase at 1.95a.

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 132
  • Norm. En. per Res.: -2.6095
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-10.1453	15.0676	-349.371	-344.4487	132	6	4	12744	1	50	33
A-C	-9.1585	-19.0257	-18.3092	-46.4934	18	1	0	643	2	4	3
B-C	-28.249	19.0647	-93.9156	-103.0999	44	3	0	3153	0	13	12
C-D	-11.4093	-14.8225	-337.673	-363.9047	150	6	5	13330	4	61	42

Interface residues

• A-B: ALA66A, ALA66B, ALA68A, ALA68B, ALA78A, ALA78B, ALA90A, ALA90B, ARG138A, ARG138B, ARG14A, ARG14B, ARG69A, ARG69B, ASN123A, ASN123B, ASN74A, ASN74B, ASP130A, ASP130B, ASP132A, ASP132B, ASP57A, ASP57B, ASP89A, ASP89B, ASP93A, ASP93B, ASP96A, ASP96B, ASP97A, ASP97B, CYS101A, CYS101B, CYS86A, CYS86B, GLN129A, GLN129B, GLN63A, GLN63B, GLN85A, GLN85B, GLU55A, GLU55B, GLU82A, GLU82B, GLU84A, GLU84B, GLY49A, GLY49B, GLY58A, GLY58B, GLY79A, GLY79B, HIS126A, HIS126B, HIS62A, HIS62B, HIS87A, HIS87B, ILE142A, ILE142B, ILE67A, ILE67B, ILE91A, ILE91B, LEU127A, LEU127B, LEU131A, LEU131B, LEU135A, LEU135B, LEU141A, LEU141B, LEU46A, LEU46B, LEU54A, LEU54B, LEU59A, LEU59B, LEU61A, LEU61B, LEU65A, LEU65B, LEU71A, LEU71B, LEU95A, LEU95B, LYS43B, LYS50A, LYS50B, LYS73A, LYS73B, MET128A, MET128B, MET83A, MET83B, PHE48A, PHE48B, PHE98A, PHE98B, PRO2A, PRO2B, PRO47A, PRO47B, SER100A, SER100B, SER64A, SER64B, THR133A, THR133B, THR60A, THR60B, THR72B, THR81A, THR81B, THR94A, THR94B, TRP148A, TRP148B, TYR134A, TYR134B, TYR4A, TYR4B, TYR70A, TYR70B, VAL56A, VAL56B, VAL88A, VAL88B, VAL92A, VAL92B
• A-C: ALA186C, ALA188C, ALA23C, ASN189C, ASN74A, ASN80A, ASP26C, GLN85A, GLU82A, ILE184C, LYS192C, LYS73A, PRO185C, THR75A, THR81A, TYR24C, TYR70A, VAL187C
• B-C: ALA186C, ALA188C, ALA23C, ALA78B, ARG193C, ARG194C, ASN144B, ASN189C, ASN3C, ASN74B, ASN80B, ASP26C, ASP31C, ASP76B, GLN28C, GLN85B, GLU30C, GLU82B, GLU84B, GLY143B, GLY79B, ILE142B, ILE191C, ILE27C, LEU25C, LEU77B, LYS192C, LYS5C, LYS73B, MET83B, PHE22C, PRO185C, PRO195C, PRO2C, SER145B, THR147B, THR72B, THR75B, THR81B, TRP190C, TYR24C, TYR29C, TYR4C, VAL146B
• C-D: ALA105C, ALA66C, ALA66D, ALA68C, ALA68D, ALA78C, ALA78D, ALA90C, ALA90D, ARG138C, ARG138D, ARG14C, ARG14D, ARG69C, ARG69D, ASN123C, ASN123D, ASN74C, ASN74D, ASP110C, ASP130C, ASP130D, ASP132C, ASP132D, ASP57C, ASP57D, ASP89C, ASP89D, ASP93C, ASP93D, ASP96C, ASP96D, ASP97C, ASP97D, CYS101C, CYS86C, CYS86D, GLN109D, GLN114C, GLN114D, GLN129C, GLN129D, GLN63C, GLN63D, GLN85C, GLN85D, GLU106C, GLU118C, GLU118D, GLU82C, GLU82D, GLU84C, GLU84D, GLY49C, GLY49D, GLY79C, HIS126C, HIS126D, HIS62C, HIS62D, HIS87C, HIS87D, ILE142C, ILE142D, ILE67C, ILE67D, ILE91C, ILE91D, LEU119C, LEU119D, LEU127C, LEU127D, LEU131C, LEU131D, LEU135C, LEU135D, LEU141C, LEU141D, LEU174D, LEU46C, LEU46D, LEU54C, LEU54D, LEU59C, LEU59D, LEU61C, LEU61D, LEU65C, LEU65D, LEU71C, LEU71D, LEU95C, LEU95D, LYS107C, LYS108C, LYS112C, LYS112D, LYS43C, LYS43D, LYS50C, LYS50D, LYS73C, LYS73D, MET115C, MET115D, MET128C, MET128D, MET83C, MET83D, PHE102C, PHE116C, PHE48C, PHE48D, PHE98C, PHE98D, PRO103C, PRO2C, PRO2D, PRO47C, PRO47D, SER100C, SER44D, SER64C, SER64D, THR133C, THR133D, THR60C, THR60D, THR81C, THR81D, THR94C, THR94D, TRP104C, TRP148C, TRP148D, TYR122D, TYR134C, TYR134D, TYR4C, TYR4D, TYR70C, TYR70D, VAL111C, VAL111D, VAL56C, VAL56D, VAL88C, VAL88D, VAL92C, VAL92D